3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propane-1,2-diol

C9H16N4O2 — CID 80850758

IUPAC3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propane-1,2-diol
SMILESCCc1c(N)ncnc1NCC(O)CO
InChIInChI=1S/C9H16N4O2/c1-2-7-8(10)12-5-13-9(7)11-3-6(15)4-14/h5-6,14-15H,2-4H2,1H3,(H3,10,11,12,13)
InChIKeyZPYPJHCNUNQOQZ-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.61
Rot. Bonds5

About 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propane-1,2-diol

3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propane-1,2-diol (PubChem CID 80850758) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propane-1,2-diol
PubChem CID80850758
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propane-1,2-diol
SMILESCCc1c(N)ncnc1NCC(O)CO
InChIInChI=1S/C9H16N4O2/c1-2-7-8(10)12-5-13-9(7)11-3-6(15)4-14/h5-6,14-15H,2-4H2,1H3,(H3,10,11,12,13)
InChIKeyZPYPJHCNUNQOQZ-UHFFFAOYSA-N
XLogP-0.61
TPSA104.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2,3-dimethoxypropyl)-5-ethylpyrimidine-4,6-diamine
CID 114102431
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propan-1-ol
CID 80770990
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366531
5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80770928
6-[(6-amino-5-ethylpyrimidin-4-yl)amino]hexan-1-ol
CID 107855342
4-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149754
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 114178343
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 106198513
4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine
CID 80820218
2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 114212305
3-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80852382
1-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propan-2-ol
CID 80906559

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propane-1,2-diol?
The IUPAC name of 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propane-1,2-diol (CID 80850758) is 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propane-1,2-diol is CCc1c(N)ncnc1NCC(O)CO.
What is the InChIKey of 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propane-1,2-diol?
The InChIKey is ZPYPJHCNUNQOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-2-7-8(10)12-5-13-9(7)11-3-6(15)4-14/h5-6,14-15H,2-4H2,1H3,(H3,10,11,12,13).
What are the key properties of 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propane-1,2-diol?
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propane-1,2-diol has a molecular weight of 212.25 g/mol, XLogP of -0.61, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propane-1,2-diol is sourced from PubChem (CID 80850758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).